6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione

C24H17NO3 — CID 2826365

IUPAC6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCOc1cccc(Cn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)c1
InChIInChI=1S/C24H17NO3/c1-28-16-8-6-7-15(13-16)14-25-22-18-10-3-4-11-19(18)23(26)21(22)17-9-2-5-12-20(17)24(25)27/h2-13H,14H2,1H3
InChIKeyXWJDLROSRFJKAK-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.27
Rot. Bonds3

About 6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione

6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 2826365) has the molecular formula C24H17NO3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID2826365
Molecular FormulaC24H17NO3
Molecular Weight367.40 g/mol
Exact Mass367.12
IUPAC Name6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCOc1cccc(Cn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)c1
InChIInChI=1S/C24H17NO3/c1-28-16-8-6-7-15(13-16)14-25-22-18-10-3-4-11-19(18)23(26)21(22)17-9-2-5-12-20(17)24(25)27/h2-13H,14H2,1H3
InChIKeyXWJDLROSRFJKAK-UHFFFAOYSA-N
XLogP4.27
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Related Compounds

6-[(4-methoxyphenyl)methyl]benzo[b]phenanthridine-5,7,12-trione
CID 118710593
6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
CID 138585209
3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione
CID 91254141
5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione
CID 12049959
6-[2-hydroxy-3-(4-methoxyphenoxy)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127253469
3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 68724550
6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 2826374
6-(3-bromopropyl)indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 91061389
5-[2-(3-methoxyphenyl)ethyl]-9-[4-[5-[2-(3-methoxyphenyl)ethyl]-10-oxoindeno[1,2-b]indol-9-yl]oxybutoxy]indeno[1,2-b]indol-10-one
CID 164611717
3-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879741
2-[(3-fluorophenyl)methylsulfanyl]-3-[(3-methoxyphenyl)methyl]quinazolin-4-one
CID 51365392
6-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
CID 125429610

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione (CID 2826365) is 6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione is COc1cccc(Cn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is XWJDLROSRFJKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO3/c1-28-16-8-6-7-15(13-16)14-25-22-18-10-3-4-11-19(18)23(26)21(22)17-9-2-5-12-20(17)24(25)27/h2-13H,14H2,1H3.
What are the key properties of 6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione?
6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 367.40 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 2826365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).